SCHEMBL2380035

SCHEMBL2380035

COc1ccccc1CNC(=N)Nc1nc(C(C)(C)C)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.45
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
CCR4 P51679 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2379641 0.90 ROCK2 (0.50) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2381606 0.88 MAPK1 (0.55) MAPK1KMT2AMEN1NPC1RAB9A
SCHEMBL77074 0.87 MAPK1 (0.69) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2379519 0.85 POLB (0.55) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2380781 0.82 ROCK2 (0.67) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2380675 0.81 ROCK1 (0.77) ROCK2ROCK1KMT2AMEN1SMN1; SMN2
SCHEMBL2381438 0.80 ROCK2 (0.53) ROCK2ROCK1KMT2AMEN1NPC1
SCHEMBL2379946 0.80 ROCK2 (0.58) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2379753 0.80 ROCK2 (0.56) MAPK1ROCK2ROCK1KMT2AMEN1
SCHEMBL2379447 0.79 ROCK2 (0.55) ROCK2ROCK1KMT2AMEN1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
EP-2366697-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-09-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 MAPK1 1791/4885ROCK2 2018/4885ROCK1 1270/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 MAPK1 1732/4885ROCK2 2141/4885ROCK1 1379/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 MAPK1 1791/4885ROCK2 2018/4885ROCK1 1270/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.